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Compound Detail

CHEMBL472398

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CC1CCCC2(C1)CC(C)(CC(=O)O)OO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472398
Phase Preclinical
Structure Type MOL
InChI Key JCEDPPFIIHNWOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
2.52
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20O4
MW 228.29
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.91

Literature References

PubMed DOI Target Context # Activities
18993067 10.1016/j.bmcl.2008.10.083 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine